==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-MAR-11 3R4C . COMPND 2 MOLECULE: HYDROLASE, HALOACID DEHALOGENASE-LIKE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR K.N.ALLEN,Z.LU,D.DUNAWAY-MARIANO . 268 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 1 2 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 -9 A S 0 0 179 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.0 30.3 -12.0 -36.6 2 -8 A S - 0 0 93 2,-0.2 3,-0.1 1,-0.0 0, 0.0 0.844 360.0-136.8 -74.8 -34.8 31.2 -8.3 -37.4 3 -7 A G + 0 0 77 1,-0.4 2,-0.3 0, 0.0 -1,-0.0 0.488 67.7 114.6 86.6 3.9 31.0 -7.3 -33.7 4 -6 A L S S- 0 0 138 3,-0.0 -1,-0.4 1,-0.0 -2,-0.2 -0.748 77.7-101.2-105.1 154.4 29.2 -4.2 -34.8 5 -5 A V - 0 0 112 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.628 37.2-121.0 -76.0 118.4 25.6 -3.3 -33.9 6 -4 A P > - 0 0 83 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.432 40.0-102.3 -57.0 129.1 23.3 -4.0 -36.8 7 -3 A R T 3 S+ 0 0 254 1,-0.3 3,-0.1 -2,-0.1 -3,-0.0 -0.322 105.2 16.8 -56.6 128.8 21.6 -0.7 -37.6 8 -2 A G T 3 S+ 0 0 54 1,-0.3 3,-0.4 -3,-0.1 -1,-0.3 0.342 101.0 121.5 94.1 -3.4 18.1 -0.6 -36.3 9 -1 A S < + 0 0 37 -3,-2.0 -1,-0.3 1,-0.2 -4,-0.0 -0.355 59.0 23.3 -92.3 167.9 18.5 -3.5 -33.9 10 0 A H S S+ 0 0 164 1,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.708 82.7 155.4 55.4 26.3 18.1 -3.9 -30.1 11 1 A M - 0 0 118 -3,-0.4 2,-0.4 2,-0.0 -1,-0.2 -0.616 39.1-135.6 -91.6 146.6 15.8 -0.9 -30.0 12 2 A I + 0 0 17 -2,-0.3 201,-0.2 1,-0.1 3,-0.1 -0.815 22.5 174.2 -96.8 134.4 13.2 -0.3 -27.2 13 3 A K + 0 0 104 199,-2.9 35,-2.5 -2,-0.4 2,-0.4 0.585 68.3 36.4-113.3 -18.4 9.8 0.8 -28.3 14 4 A V E -ab 48 213A 1 198,-1.7 200,-2.3 33,-0.2 2,-0.5 -0.995 62.1-163.3-140.7 132.0 7.9 0.8 -24.9 15 5 A L E -ab 49 214A 0 33,-3.1 35,-3.1 -2,-0.4 2,-0.4 -0.972 5.9-159.2-118.0 120.6 9.1 1.7 -21.5 16 6 A L E -ab 50 215A 1 198,-3.0 200,-2.2 -2,-0.5 2,-0.5 -0.852 11.5-166.7 -98.3 134.6 7.2 0.6 -18.3 17 7 A L E -ab 51 216A 0 33,-2.5 35,-2.9 -2,-0.4 200,-0.2 -0.977 14.3-142.1-131.1 121.3 7.9 2.5 -15.1 18 8 A D - 0 0 7 198,-2.2 35,-0.2 -2,-0.5 5,-0.2 -0.260 17.2-145.2 -63.3 160.7 7.0 1.6 -11.6 19 9 A V S >>>S+ 0 0 0 33,-0.5 5,-2.4 1,-0.2 4,-2.3 0.838 71.7 54.9 -99.0 -79.6 5.9 4.6 -9.4 20 10 A D B 345S+h 24 0B 56 1,-0.3 198,-0.3 3,-0.2 -1,-0.2 -0.416 125.4 5.6 -65.1 124.7 6.9 4.5 -5.7 21 11 A G T 345S+ 0 0 0 3,-2.8 232,-0.3 -2,-0.2 -1,-0.3 0.398 133.7 54.7 85.4 -0.3 10.6 4.0 -5.3 22 12 A T T <45S+ 0 0 1 -3,-2.0 236,-0.2 2,-0.2 -2,-0.2 0.620 127.6 7.7-126.2 -55.4 11.2 4.3 -9.1 23 13 A L T <5S+ 0 0 2 -4,-2.3 2,-0.6 1,-0.2 9,-0.4 0.762 130.5 54.5 -93.1 -35.9 9.7 7.6 -10.2 24 14 A L B - 0 0 5 5,-1.8 4,-1.3 -2,-0.6 -3,-0.1 -0.423 7.2-142.5 -69.6 143.0 11.6 9.1 -4.1 26 16 A F T 4 S+ 0 0 121 2,-0.1 -1,-0.1 1,-0.1 -6,-0.0 0.731 103.0 48.3 -75.5 -21.1 10.7 8.1 -0.5 27 17 A E T 4 S+ 0 0 146 3,-0.1 -1,-0.1 1,-0.1 -3,-0.0 0.936 127.9 17.4 -84.1 -50.5 12.9 11.0 0.7 28 18 A T T 4 S- 0 0 66 2,-0.2 -2,-0.1 0, 0.0 3,-0.1 0.671 83.6-139.8 -97.6 -22.4 11.7 13.9 -1.5 29 19 A H < + 0 0 128 -4,-1.3 2,-0.3 1,-0.3 -3,-0.1 0.677 69.8 107.0 66.7 17.2 8.4 12.6 -2.8 30 20 A K S S- 0 0 141 33,-0.0 -5,-1.8 0, 0.0 2,-0.5 -0.752 78.9-110.0-118.1 165.6 9.4 14.1 -6.1 31 21 A V - 0 0 21 31,-0.3 -7,-0.1 -2,-0.3 -8,-0.1 -0.873 47.0-115.9 -89.6 129.4 10.5 12.9 -9.5 32 22 A S > - 0 0 41 -2,-0.5 4,-2.4 -9,-0.4 5,-0.1 -0.242 10.2-124.1 -65.8 153.3 14.1 13.9 -9.9 33 23 A Q H > S+ 0 0 125 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.882 114.1 61.9 -62.3 -38.0 15.2 16.4 -12.6 34 24 A S H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.943 108.7 39.9 -48.8 -52.4 17.5 13.7 -13.8 35 25 A S H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.880 113.0 54.8 -70.7 -37.2 14.6 11.4 -14.5 36 26 A I H X S+ 0 0 35 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.950 112.0 44.4 -57.5 -48.3 12.4 14.2 -15.9 37 27 A D H X S+ 0 0 82 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.897 114.3 48.9 -66.2 -40.6 15.2 15.1 -18.4 38 28 A A H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.924 111.0 49.4 -64.5 -45.2 15.8 11.4 -19.3 39 29 A L H X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.783 104.8 58.0 -71.1 -25.4 12.1 10.7 -19.9 40 30 A K H X S+ 0 0 117 -4,-1.7 4,-3.2 -5,-0.2 -1,-0.2 0.926 109.2 46.6 -64.9 -42.7 11.7 13.7 -22.1 41 31 A K H X S+ 0 0 107 -4,-1.5 4,-1.3 2,-0.2 -2,-0.2 0.921 111.4 50.7 -63.0 -46.3 14.4 12.3 -24.3 42 32 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.6 1,-0.2 3,-0.8 0.967 115.5 42.9 -54.1 -52.9 12.8 8.8 -24.2 43 33 A H H ><5S+ 0 0 77 -4,-2.8 3,-2.3 1,-0.3 -2,-0.2 0.926 110.2 55.3 -60.7 -47.3 9.5 10.4 -25.2 44 34 A D H 3<5S+ 0 0 96 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.704 102.0 59.7 -61.7 -19.9 11.0 12.7 -27.8 45 35 A S T <<5S- 0 0 72 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.378 122.7-103.2 -91.1 5.5 12.5 9.6 -29.5 46 36 A G T < 5S+ 0 0 57 -3,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.529 72.4 143.8 90.5 8.1 9.1 8.0 -30.1 47 37 A I < - 0 0 11 -5,-1.6 -1,-0.3 -33,-0.1 2,-0.3 -0.633 49.6-125.7 -83.5 134.8 9.2 5.5 -27.2 48 38 A K E -a 14 0A 82 -35,-2.5 -33,-3.1 -2,-0.3 2,-0.5 -0.624 20.1-148.4 -78.6 139.2 5.8 4.9 -25.5 49 39 A I E -a 15 0A 0 -2,-0.3 20,-3.0 18,-0.2 21,-2.0 -0.944 13.8-173.2-113.2 125.3 5.9 5.3 -21.7 50 40 A V E -ac 16 70A 0 -35,-3.1 -33,-2.5 -2,-0.5 21,-0.2 -0.961 17.3-140.7-121.9 116.8 3.6 3.2 -19.6 51 41 A I E -ac 17 71A 0 19,-2.7 21,-3.5 -2,-0.5 2,-0.4 -0.509 17.3-165.9 -68.8 142.9 3.2 3.8 -15.8 52 42 A A E + c 0 72A 0 -35,-2.9 -33,-0.5 19,-0.2 2,-0.3 -0.927 25.4 140.6-138.5 114.2 3.0 0.5 -13.9 53 43 A T - 0 0 3 19,-3.0 22,-2.3 -2,-0.4 23,-0.5 -0.958 61.9-127.3-154.7 154.4 1.8 0.7 -10.4 54 44 A G S S+ 0 0 18 -2,-0.3 19,-0.1 20,-0.3 -1,-0.1 0.566 87.9 96.1 -77.7 -14.7 -0.2 -0.7 -7.4 55 45 A R S S- 0 0 38 1,-0.1 19,-2.6 19,-0.1 20,-0.2 -0.287 87.8 -98.6 -68.3 162.0 -1.7 2.9 -7.2 56 46 A A > - 0 0 19 17,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.458 30.0-116.6 -72.2 155.6 -5.0 3.8 -8.7 57 47 A A T 3 S+ 0 0 24 1,-0.3 3,-0.4 -2,-0.1 -1,-0.1 0.764 118.4 57.5 -64.9 -21.8 -4.9 5.6 -12.1 58 48 A S T 3 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.445 94.4 68.8 -86.4 0.0 -6.5 8.6 -10.3 59 49 A D < + 0 0 74 -3,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.274 69.0 95.8-114.6 45.0 -3.6 8.7 -7.8 60 50 A L > + 0 0 8 -3,-0.4 3,-1.1 1,-0.1 -1,-0.2 -0.002 36.7 123.0-126.0 27.2 -0.8 9.9 -10.0 61 51 A H G > + 0 0 160 1,-0.2 3,-1.8 -3,-0.2 4,-0.2 0.901 69.9 60.3 -53.5 -47.2 -0.8 13.6 -9.4 62 52 A E G 3 S+ 0 0 84 1,-0.3 3,-0.3 -3,-0.1 -31,-0.3 0.702 104.8 48.8 -61.4 -22.4 2.8 13.7 -8.3 63 53 A I G X S+ 0 0 0 -3,-1.1 3,-1.5 1,-0.2 -1,-0.3 0.051 70.6 117.9-107.3 26.6 4.1 12.4 -11.6 64 54 A D T < S+ 0 0 105 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.829 70.2 62.7 -60.8 -30.5 2.2 14.8 -13.9 65 55 A A T 3 S+ 0 0 71 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.722 83.8 94.1 -68.1 -20.9 5.5 16.1 -15.2 66 56 A V S < S- 0 0 1 -3,-1.5 2,-2.2 1,-0.1 -30,-0.1 -0.614 79.3-135.0 -76.9 125.1 6.2 12.7 -16.6 67 57 A P + 0 0 36 0, 0.0 -18,-0.2 0, 0.0 2,-0.1 -0.355 43.2 162.5 -80.1 61.6 5.1 12.4 -20.3 68 58 A Y - 0 0 26 -2,-2.2 -18,-0.2 1,-0.1 3,-0.1 -0.470 29.5-166.1 -82.0 154.9 3.5 9.0 -20.0 69 59 A D + 0 0 44 -20,-3.0 13,-2.5 1,-0.2 14,-0.3 0.717 69.5 26.0-104.5 -34.0 1.1 7.7 -22.6 70 60 A G E -cD 50 81A 0 -21,-2.0 -19,-2.7 11,-0.3 2,-0.4 -0.874 61.6-145.0-136.4 162.1 -0.4 4.7 -20.7 71 61 A V E -cD 51 80A 3 9,-3.0 9,-2.1 -2,-0.3 2,-0.7 -0.990 8.4-169.4-135.4 126.5 -1.1 3.4 -17.2 72 62 A I E +cD 52 79A 0 -21,-3.5 -19,-3.0 -2,-0.4 3,-0.3 -0.941 35.5 171.3-105.7 100.4 -1.1 -0.1 -15.8 73 63 A A E >>> + D 0 78A 0 5,-3.0 5,-2.2 -2,-0.7 3,-1.3 -0.622 47.9 30.9-111.6 171.9 -2.7 0.7 -12.4 74 64 A L G >45S- 0 0 13 -19,-2.6 3,-1.6 1,-0.3 -20,-0.3 0.880 133.0 -60.6 46.5 45.7 -4.0 -1.5 -9.6 75 65 A N G 345S- 0 0 4 -22,-2.3 -1,-0.3 -3,-0.3 122,-0.2 0.806 109.3 -41.5 55.0 34.1 -1.3 -4.1 -10.4 76 66 A G G <45S+ 0 0 0 -3,-1.3 -1,-0.3 -23,-0.5 3,-0.2 0.373 118.9 105.8 98.3 -3.5 -2.8 -4.6 -13.9 77 67 A A T <<5S+ 0 0 0 -3,-1.6 13,-2.8 -4,-0.6 2,-0.3 0.616 83.2 42.5 -85.0 -10.8 -6.4 -4.5 -12.9 78 68 A E E < +DE 73 89A 16 -5,-2.2 -5,-3.0 11,-0.2 2,-0.6 -0.825 69.0 175.5-136.5 96.4 -6.9 -1.0 -14.3 79 69 A C E +DE 72 88A 0 9,-3.1 8,-2.5 -2,-0.3 9,-2.1 -0.907 17.7 148.4-109.2 117.7 -5.3 -0.3 -17.7 80 70 A V E -DE 71 86A 11 -9,-2.1 -9,-3.0 -2,-0.6 6,-0.2 -0.926 43.8-111.1-142.7 160.1 -6.0 3.1 -19.2 81 71 A L E > -D 70 0A 23 4,-2.6 3,-1.9 -2,-0.3 -11,-0.3 -0.521 41.6-103.8 -87.3 166.8 -4.5 5.8 -21.4 82 72 A R T 3 S+ 0 0 87 -13,-2.5 -12,-0.1 1,-0.3 -1,-0.1 0.859 120.6 60.2 -58.9 -34.7 -3.4 9.1 -20.0 83 73 A D T 3 S- 0 0 126 -14,-0.3 -1,-0.3 1,-0.1 -13,-0.1 0.398 125.9 -98.3 -76.2 5.3 -6.5 10.7 -21.5 84 74 A G S < S+ 0 0 50 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.268 70.9 152.5 95.8 -10.0 -8.8 8.4 -19.5 85 75 A S - 0 0 52 -5,-0.1 -4,-2.6 1,-0.1 2,-0.6 -0.367 41.0-137.1 -55.8 118.6 -9.4 5.9 -22.3 86 76 A V E +E 80 0A 78 -6,-0.2 -6,-0.2 -2,-0.2 3,-0.1 -0.713 30.1 170.6 -82.2 121.8 -10.2 2.5 -20.6 87 77 A I E - 0 0 54 -8,-2.5 2,-0.3 -2,-0.6 -7,-0.2 0.804 69.2 -10.5 -96.0 -41.3 -8.4 -0.4 -22.3 88 78 A R E -E 79 0A 94 -9,-2.1 -9,-3.1 2,-0.0 2,-0.4 -0.927 53.1-170.6-159.7 138.0 -9.2 -3.1 -19.6 89 79 A K E -E 78 0A 83 -2,-0.3 2,-0.7 -11,-0.2 -11,-0.2 -0.995 11.3-155.5-126.0 139.3 -10.5 -3.3 -16.1 90 80 A V - 0 0 31 -13,-2.8 100,-0.4 -2,-0.4 2,-0.1 -0.802 19.3-163.6-116.3 87.2 -10.4 -6.5 -14.0 91 81 A A - 0 0 39 -2,-0.7 64,-0.2 1,-0.1 63,-0.1 -0.434 26.5-108.4 -74.1 142.9 -13.2 -6.2 -11.5 92 82 A I - 0 0 7 62,-2.5 62,-0.1 -2,-0.1 -1,-0.1 -0.558 41.6-120.7 -64.2 122.0 -13.4 -8.5 -8.4 93 83 A P > - 0 0 56 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.402 15.3-119.9 -67.4 147.9 -16.3 -10.9 -9.0 94 84 A A H > S+ 0 0 70 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.861 111.1 54.7 -54.8 -38.9 -19.1 -10.9 -6.5 95 85 A Q H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.886 108.5 46.4 -71.0 -37.0 -18.6 -14.5 -5.6 96 86 A D H > S+ 0 0 18 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.859 112.9 50.9 -68.7 -37.6 -14.9 -14.1 -4.7 97 87 A F H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.916 109.0 51.7 -65.9 -40.9 -15.7 -10.9 -2.7 98 88 A R H X S+ 0 0 108 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.939 111.6 45.8 -58.9 -47.1 -18.4 -12.9 -0.8 99 89 A K H X S+ 0 0 72 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.898 110.8 54.7 -64.7 -39.9 -16.0 -15.6 0.0 100 90 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.928 109.2 46.7 -55.0 -48.8 -13.4 -13.0 1.1 101 91 A M H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.843 108.3 55.9 -68.3 -32.1 -15.9 -11.4 3.5 102 92 A E H X S+ 0 0 90 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.885 112.7 42.1 -66.8 -36.6 -16.9 -14.8 4.9 103 93 A L H X S+ 0 0 30 -4,-1.9 4,-2.7 2,-0.2 6,-0.2 0.842 109.2 58.2 -77.0 -35.1 -13.2 -15.5 5.7 104 94 A A H <>S+ 0 0 0 -4,-2.5 5,-1.6 2,-0.2 4,-0.3 0.913 111.0 43.3 -58.4 -43.3 -12.6 -12.0 7.0 105 95 A R H ><5S+ 0 0 115 -4,-2.2 3,-0.9 3,-0.2 -2,-0.2 0.932 113.3 51.4 -66.1 -46.2 -15.4 -12.5 9.5 106 96 A E H 3<5S+ 0 0 128 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.903 120.9 32.8 -57.8 -43.2 -14.2 -16.0 10.4 107 97 A F T 3<5S- 0 0 77 -4,-2.7 -1,-0.2 2,-0.1 -2,-0.2 0.215 107.7-122.0-106.6 13.5 -10.6 -14.9 11.0 108 98 A D T < 5 + 0 0 109 -3,-0.9 2,-0.4 -4,-0.3 -3,-0.2 0.749 60.0 141.0 59.4 32.7 -11.5 -11.4 12.4 109 99 A F < - 0 0 10 -5,-1.6 -1,-0.2 -6,-0.2 52,-0.1 -0.849 49.2-118.8-108.9 146.3 -9.6 -9.3 9.9 110 100 A A E -I 160 0C 0 50,-0.5 50,-2.4 -2,-0.4 2,-0.4 -0.411 23.7-162.0 -74.0 153.3 -10.7 -6.0 8.3 111 101 A V E -I 159 0C 0 48,-0.2 11,-1.7 -2,-0.1 2,-0.4 -0.995 3.8-164.6-133.7 139.1 -11.1 -5.6 4.6 112 102 A A E -IJ 158 121C 0 46,-2.3 46,-2.5 -2,-0.4 2,-0.5 -0.959 20.2-129.2-122.9 146.5 -11.2 -2.3 2.6 113 103 A L E -IJ 157 120C 0 7,-2.4 7,-1.8 -2,-0.4 2,-1.0 -0.793 19.5-146.2 -81.2 129.5 -12.4 -1.4 -0.9 114 104 A E E + J 0 119C 44 42,-2.2 41,-0.4 -2,-0.5 42,-0.3 -0.822 35.6 167.7 -97.6 94.1 -9.7 0.6 -2.6 115 105 A L E > - J 0 118C 23 3,-2.1 3,-1.0 -2,-1.0 -59,-0.1 -0.622 50.2-110.1-106.0 164.3 -11.8 2.9 -4.7 116 106 A N T 3 S+ 0 0 106 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.891 120.0 49.7 -54.3 -43.5 -11.1 6.1 -6.7 117 107 A E T 3 S- 0 0 121 1,-0.2 2,-0.3 -3,-0.0 -1,-0.2 0.564 126.8 -74.4 -78.7 -8.2 -13.0 8.2 -4.2 118 108 A G E < -J 115 0C 26 -3,-1.0 -3,-2.1 2,-0.0 2,-0.4 -0.850 56.6 -51.9 145.6 179.1 -11.1 6.7 -1.3 119 109 A V E -J 114 0C 59 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.776 43.9-170.2 -90.2 135.6 -10.6 3.7 1.0 120 110 A F E -J 113 0C 28 -7,-1.8 -7,-2.4 -2,-0.4 2,-0.3 -0.985 5.7-163.8-131.6 122.2 -13.7 2.3 2.7 121 111 A V E -Jk 112 142C 0 20,-2.2 22,-2.4 -2,-0.4 -9,-0.2 -0.720 21.8-141.7-112.6 154.5 -13.3 -0.3 5.5 122 112 A N S S- 0 0 35 -11,-1.7 2,-0.3 -2,-0.3 -10,-0.1 0.707 79.6 -7.0 -84.4 -21.2 -15.7 -2.8 7.1 123 113 A R - 0 0 81 -12,-0.2 2,-0.5 18,-0.1 -1,-0.2 -0.981 70.0 -99.2-166.3 165.6 -14.5 -2.5 10.7 124 114 A L + 0 0 89 -2,-0.3 3,-0.0 -3,-0.1 18,-0.0 -0.880 42.3 162.4-103.6 123.7 -11.9 -1.0 13.0 125 115 A T > - 0 0 17 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.871 54.2-101.7-128.4 164.3 -9.0 -3.2 14.2 126 116 A P H > S+ 0 0 87 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.868 122.9 56.9 -52.2 -37.8 -5.6 -2.4 15.8 127 117 A T H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.931 106.0 47.9 -61.4 -46.9 -4.1 -3.1 12.3 128 118 A V H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.920 115.1 46.2 -59.9 -43.7 -6.3 -0.4 10.7 129 119 A E H X S+ 0 0 111 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.892 110.6 53.4 -65.8 -38.5 -5.4 2.0 13.5 130 120 A Q H X S+ 0 0 101 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.925 108.5 48.9 -63.8 -43.9 -1.7 1.1 13.2 131 121 A I H X S+ 0 0 31 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.864 107.5 55.9 -62.6 -36.5 -1.6 1.8 9.4 132 122 A A H X>S+ 0 0 13 -4,-1.6 5,-1.9 -5,-0.2 4,-0.7 0.876 107.6 48.7 -64.7 -36.7 -3.4 5.2 10.0 133 123 A G H <5S+ 0 0 55 -4,-1.7 3,-0.4 3,-0.2 -2,-0.2 0.919 110.0 52.8 -67.2 -42.4 -0.6 6.2 12.4 134 124 A I H <5S+ 0 0 96 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.944 117.4 35.0 -58.8 -51.8 2.0 5.1 9.9 135 125 A V H <5S- 0 0 89 -4,-2.5 -1,-0.2 2,-0.1 -2,-0.2 0.459 104.8-126.4 -84.8 -0.6 0.6 7.2 7.0 136 126 A E T <5 + 0 0 179 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.919 69.2 124.1 56.8 46.6 -0.5 10.0 9.4 137 127 A H < - 0 0 125 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.970 69.4-100.2-135.1 144.4 -4.0 9.9 8.0 138 128 A P - 0 0 104 0, 0.0 -3,-0.0 0, 0.0 -9,-0.0 -0.280 54.4 -88.4 -57.7 154.0 -7.3 9.3 9.8 139 129 A V - 0 0 54 1,-0.1 3,-0.1 3,-0.0 -10,-0.1 -0.226 54.8 -90.8 -58.8 156.1 -8.6 5.8 9.6 140 130 A P - 0 0 23 0, 0.0 -20,-0.2 0, 0.0 -1,-0.1 -0.306 51.1 -90.1 -64.3 155.5 -10.9 5.0 6.6 141 131 A P - 0 0 70 0, 0.0 -20,-2.2 0, 0.0 2,-0.5 -0.418 41.5-125.5 -61.3 142.6 -14.6 5.6 7.0 142 132 A V B +k 121 0C 74 -22,-0.2 2,-0.3 -20,-0.1 -20,-0.2 -0.847 45.2 152.0 -94.0 126.2 -16.3 2.5 8.3 143 133 A V - 0 0 50 -22,-2.4 2,-1.2 -2,-0.5 3,-0.1 -0.880 59.3 -85.7-142.0 169.1 -19.2 1.4 6.1 144 134 A D > - 0 0 102 -2,-0.3 4,-2.1 1,-0.2 3,-0.2 -0.743 46.5-173.6 -76.0 98.5 -21.1 -1.7 5.0 145 135 A I H > S+ 0 0 1 -2,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.676 77.4 61.1 -77.2 -14.4 -18.7 -2.6 2.2 146 136 A E H > S+ 0 0 61 2,-0.2 4,-1.1 3,-0.1 -1,-0.2 0.895 109.1 43.6 -75.3 -36.8 -20.8 -5.4 0.9 147 137 A E H > S+ 0 0 76 2,-0.2 4,-0.6 1,-0.2 3,-0.4 0.926 117.2 46.7 -66.9 -44.7 -23.6 -2.9 0.2 148 138 A M H >X S+ 0 0 11 -4,-2.1 3,-1.4 1,-0.2 4,-0.7 0.888 105.2 59.8 -64.7 -40.6 -21.0 -0.5 -1.2 149 139 A F H >< S+ 0 0 24 -4,-2.5 3,-0.7 1,-0.3 5,-0.3 0.835 100.0 58.1 -54.4 -35.2 -19.4 -3.2 -3.3 150 140 A E H 3< S+ 0 0 156 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.752 108.6 44.6 -68.4 -24.3 -22.7 -3.7 -5.1 151 141 A R H << S+ 0 0 140 -3,-1.4 -1,-0.2 -4,-0.6 2,-0.2 0.472 113.2 52.5-100.8 -5.2 -22.8 -0.1 -6.2 152 142 A K S << S- 0 0 75 -4,-0.7 2,-0.4 -3,-0.7 -37,-0.0 -0.681 76.7-120.0-124.8 175.7 -19.1 0.2 -7.4 153 143 A E - 0 0 105 -2,-0.2 2,-0.3 -62,-0.0 -3,-0.1 -0.642 38.0-173.4-117.1 74.6 -16.6 -1.5 -9.7 154 144 A C + 0 0 3 -2,-0.4 -62,-2.5 -5,-0.3 -39,-0.1 -0.498 17.3 171.3 -73.7 128.7 -13.9 -2.5 -7.2 155 145 A C + 0 0 6 -41,-0.4 35,-0.4 -2,-0.3 2,-0.3 0.440 65.7 38.2-113.6 -5.7 -10.7 -3.9 -8.7 156 146 A Q - 0 0 1 -42,-0.3 -42,-2.2 33,-0.1 2,-0.3 -0.980 61.7-166.5-152.0 135.3 -8.4 -4.0 -5.7 157 147 A L E -IL 113 188C 0 31,-2.4 31,-2.6 -2,-0.3 2,-0.6 -0.839 16.8-136.1-118.8 155.7 -9.0 -4.8 -2.0 158 148 A C E -IL 112 187C 9 -46,-2.5 -46,-2.3 -2,-0.3 2,-0.7 -0.964 14.3-163.2-110.7 118.7 -6.9 -4.3 1.1 159 149 A F E -IL 111 186C 0 27,-2.8 27,-2.0 -2,-0.6 2,-1.8 -0.908 10.4-150.6 -98.2 116.9 -6.8 -7.2 3.5 160 150 A Y E +I 110 0C 14 -50,-2.4 -50,-0.5 -2,-0.7 2,-0.3 -0.493 54.9 112.2 -87.7 69.6 -5.5 -6.0 6.9 161 151 A F - 0 0 9 -2,-1.8 -2,-0.1 -52,-0.1 2,-0.1 -0.896 64.4-104.2-137.3 165.8 -3.9 -9.3 8.0 162 152 A D > - 0 0 80 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.262 37.7-101.9 -87.8 175.3 -0.4 -10.7 8.7 163 153 A E H > S+ 0 0 115 20,-0.3 4,-2.2 1,-0.2 5,-0.2 0.868 121.5 55.9 -68.9 -33.7 1.6 -13.0 6.5 164 154 A E H > S+ 0 0 163 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.931 110.9 45.0 -59.3 -46.8 0.7 -16.0 8.7 165 155 A A H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 3,-0.4 0.923 110.2 55.2 -63.4 -45.4 -2.9 -15.3 8.1 166 156 A E H X S+ 0 0 21 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.887 104.8 52.2 -54.2 -43.9 -2.4 -14.7 4.4 167 157 A Q H < S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.833 115.1 43.0 -67.3 -28.8 -0.8 -18.1 4.0 168 158 A K H < S+ 0 0 137 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.859 122.4 36.2 -78.4 -39.8 -3.8 -19.7 5.7 169 159 A V H >< S+ 0 0 1 -4,-2.6 3,-2.1 2,-0.1 4,-0.2 0.891 104.0 62.5 -87.8 -44.7 -6.5 -17.7 3.9 170 160 A M G >< S+ 0 0 23 -4,-2.5 3,-2.1 1,-0.3 6,-0.2 0.839 95.7 60.6 -61.8 -33.3 -5.4 -17.1 0.4 171 161 A P G 3 S+ 0 0 89 0, 0.0 3,-0.3 0, 0.0 -1,-0.3 0.769 103.4 55.7 -60.3 -18.3 -5.3 -20.8 -0.6 172 162 A L G < S+ 0 0 99 -3,-2.1 -2,-0.2 1,-0.2 2,-0.1 0.444 103.8 55.5 -90.0 -2.8 -9.0 -20.6 0.3 173 163 A L X + 0 0 1 -3,-2.1 3,-2.5 -4,-0.2 -1,-0.2 -0.534 61.5 163.0-128.0 63.1 -9.6 -17.8 -2.2 174 164 A S T 3 S+ 0 0 105 -3,-0.3 -1,-0.1 1,-0.3 -2,-0.1 0.684 71.4 64.3 -62.1 -19.4 -8.3 -19.3 -5.4 175 165 A G T 3 S+ 0 0 19 -3,-0.1 16,-2.5 15,-0.1 -1,-0.3 0.560 105.9 51.5 -77.6 -6.4 -10.1 -16.6 -7.5 176 166 A L E < -M 190 0C 8 -3,-2.5 2,-0.3 14,-0.3 14,-0.2 -0.832 64.4-156.2-128.8 162.0 -7.9 -14.0 -5.9 177 167 A S E -M 189 0C 40 12,-2.6 12,-2.3 -2,-0.3 2,-0.3 -0.999 11.0-144.1-140.7 141.5 -4.2 -13.3 -5.3 178 168 A A E -M 188 0C 26 -2,-0.3 2,-0.5 10,-0.2 10,-0.2 -0.781 3.4-157.1-103.3 145.5 -2.5 -11.1 -2.7 179 169 A T E -M 187 0C 37 8,-2.6 8,-1.6 -2,-0.3 2,-0.4 -0.987 19.2-170.5-122.1 119.7 0.7 -9.1 -3.1 180 170 A R E + 0 0 42 -2,-0.5 6,-0.1 6,-0.2 40,-0.1 -0.905 35.2 140.3-118.7 140.6 2.6 -8.3 0.0 181 171 A W E S+ 0 0 186 4,-0.5 -1,-0.1 -2,-0.4 5,-0.1 0.376 70.7 62.4-136.7 -23.0 5.5 -6.0 1.0 182 172 A H E > S-M 185 0C 35 3,-0.5 3,-0.8 1,-0.1 -1,-0.3 -0.882 76.0-132.9-113.1 141.6 4.3 -4.7 4.4 183 173 A P T 3 S+ 0 0 89 0, 0.0 -20,-0.3 0, 0.0 -1,-0.1 0.678 99.8 54.6 -67.3 -17.1 3.7 -6.9 7.5 184 174 A L T 3 S+ 0 0 40 1,-0.1 2,-0.3 -22,-0.1 -53,-0.1 0.628 115.0 2.0 -95.4 -15.2 0.4 -5.3 8.3 185 175 A F E < - M 0 182C 29 -3,-0.8 -3,-0.5 -25,-0.2 -4,-0.5 -0.982 52.2-146.0-160.1 165.8 -1.6 -5.7 5.1 186 176 A A E -L 159 0C 1 -27,-2.0 -27,-2.8 -2,-0.3 2,-0.3 -0.995 20.8-126.4-138.6 146.9 -1.8 -6.9 1.5 187 177 A D E -LM 158 179C 24 -8,-1.6 -8,-2.6 -2,-0.3 2,-0.4 -0.688 28.5-153.0 -83.5 147.5 -3.4 -5.7 -1.6 188 178 A V E +LM 157 178C 0 -31,-2.6 -31,-2.4 -2,-0.3 2,-0.2 -0.986 19.2 166.8-131.4 128.1 -5.7 -8.2 -3.3 189 179 A N E - M 0 177C 3 -12,-2.3 -12,-2.6 -2,-0.4 -33,-0.1 -0.783 50.7 -66.6-124.9 172.4 -6.6 -8.5 -7.0 190 180 A V E > S- M 0 176C 28 -35,-0.4 3,-2.0 -100,-0.4 -14,-0.3 -0.390 71.9 -89.8 -56.5 137.2 -8.2 -11.1 -9.3 191 181 A A T 3 S+ 0 0 42 -16,-2.5 -1,-0.1 1,-0.2 3,-0.1 -0.244 112.5 23.1 -55.3 135.0 -5.8 -14.1 -9.5 192 182 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.142 89.1 127.0 96.8 -19.5 -3.4 -13.9 -12.4 193 183 A T < + 0 0 18 -3,-2.0 -1,-0.3 4,-0.1 2,-0.3 -0.573 31.1 139.2 -77.5 130.6 -3.6 -10.1 -12.6 194 184 A S > - 0 0 25 -2,-0.3 4,-1.9 -118,-0.2 3,-0.4 -0.951 69.7 -89.2-157.9 172.5 -0.2 -8.4 -12.5 195 185 A K H > S+ 0 0 1 26,-0.5 4,-2.0 -2,-0.3 -119,-0.1 0.772 125.9 58.6 -61.7 -20.7 2.0 -5.7 -13.9 196 186 A A H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.830 101.0 50.6 -80.7 -31.6 3.0 -8.4 -16.4 197 187 A T H > S+ 0 0 43 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.875 111.2 51.3 -70.3 -33.7 -0.5 -8.9 -17.7 198 188 A G H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.933 107.6 53.6 -58.5 -48.2 -0.6 -5.1 -18.0 199 189 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.926 109.6 45.6 -54.3 -48.5 2.7 -5.4 -20.0 200 190 A S H X S+ 0 0 57 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.868 109.9 55.1 -70.3 -33.0 1.3 -7.9 -22.5 201 191 A L H X S+ 0 0 24 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.943 113.7 41.0 -58.6 -48.4 -1.9 -5.9 -22.9 202 192 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.809 108.9 59.6 -75.0 -26.5 0.1 -2.9 -23.9 203 193 A A H <>S+ 0 0 6 -4,-2.4 5,-2.6 -5,-0.2 4,-0.3 0.929 112.6 40.5 -63.3 -43.3 2.6 -5.0 -26.0 204 194 A D H ><5S+ 0 0 125 -4,-2.1 3,-0.8 3,-0.2 -2,-0.2 0.921 113.9 53.8 -67.1 -44.6 -0.4 -6.0 -28.0 205 195 A Y H 3<5S+ 0 0 108 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.925 116.5 36.5 -58.2 -48.7 -1.9 -2.5 -27.9 206 196 A Y T 3<5S- 0 0 45 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.441 109.0-126.9 -85.5 0.8 1.2 -0.8 -29.3 207 197 A R T < 5 + 0 0 224 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.913 60.8 136.7 54.3 51.1 1.9 -3.8 -31.5 208 198 A V < - 0 0 22 -5,-2.6 2,-0.2 -6,-0.2 -1,-0.2 -0.798 53.9-107.6-122.0 167.1 5.4 -4.4 -30.3 209 199 A K > - 0 0 149 -2,-0.3 3,-1.9 1,-0.1 -196,-0.2 -0.570 27.8-116.2 -92.6 155.2 7.5 -7.5 -29.4 210 200 A V G > S+ 0 0 75 1,-0.3 3,-2.1 -2,-0.2 20,-1.4 0.874 116.3 62.1 -57.2 -37.0 8.4 -8.4 -25.9 211 201 A S G 3 S+ 0 0 84 1,-0.3 -1,-0.3 19,-0.2 18,-0.0 0.674 98.8 58.3 -62.4 -15.7 12.1 -7.9 -26.8 212 202 A E G < S+ 0 0 35 -3,-1.9 -199,-2.9 -200,-0.1 -198,-1.7 0.285 91.7 90.3 -97.9 9.3 11.2 -4.3 -27.5 213 203 A I E < -b 14 0A 0 -3,-2.1 18,-2.0 -201,-0.2 17,-1.1 -0.908 51.7-172.3-114.9 131.5 10.0 -3.6 -24.0 214 204 A M E -bf 15 231A 0 -200,-2.3 -198,-3.0 -2,-0.4 2,-0.4 -0.960 5.9-170.4-116.5 141.1 12.0 -2.4 -21.0 215 205 A A E -bf 16 232A 0 16,-2.5 18,-3.1 -2,-0.4 2,-0.4 -0.997 3.0-166.5-133.1 135.1 10.5 -2.3 -17.5 216 206 A C E +bf 17 233A 0 -200,-2.2 -198,-2.2 -2,-0.4 2,-0.3 -0.974 22.4 141.0-122.0 137.0 12.1 -0.6 -14.4 217 207 A G E - f 0 234A 0 16,-2.2 18,-2.5 -2,-0.4 21,-0.2 -0.976 42.1-147.2-162.6 173.9 10.9 -1.2 -10.8 218 208 A D + 0 0 26 -2,-0.3 21,-0.8 -198,-0.3 2,-0.2 0.357 69.0 73.7-125.1 0.5 11.9 -1.6 -7.1 219 209 A G S >> S- 0 0 13 19,-0.2 3,-1.9 23,-0.1 4,-0.8 -0.675 82.5-104.0-131.5 172.2 9.3 -3.9 -5.7 220 210 A G G >4 S+ 0 0 41 1,-0.3 3,-0.7 -2,-0.2 -1,-0.1 0.849 118.2 55.9 -61.6 -35.5 7.8 -7.4 -5.3 221 211 A N G 34 S+ 0 0 39 1,-0.2 -26,-0.5 2,-0.2 -1,-0.3 0.466 102.0 59.8 -77.6 0.6 4.9 -6.4 -7.6 222 212 A D G X> S+ 0 0 0 -3,-1.9 4,-2.8 2,-0.1 3,-0.6 0.663 80.5 85.7 -94.1 -21.8 7.5 -5.6 -10.3 223 213 A I H S+ 0 0 43 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.883 114.8 41.0 -57.3 -40.6 6.4 -10.3 -12.9 225 215 A M H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.3 -2,-0.2 0.805 109.9 56.6 -81.3 -27.0 7.1 -7.4 -15.3 226 216 A L H < S+ 0 0 1 -4,-2.8 -1,-0.2 1,-0.2 21,-0.2 0.879 113.2 43.6 -67.4 -34.8 10.9 -7.4 -14.9 227 217 A K H < S+ 0 0 146 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.878 116.3 45.5 -72.6 -41.8 10.8 -11.1 -15.9 228 218 A A H < S+ 0 0 40 -4,-1.8 -2,-0.2 -5,-0.3 -3,-0.2 0.847 96.1 87.8 -73.9 -34.7 8.4 -10.7 -18.8 229 219 A A S < S- 0 0 8 -4,-2.3 3,-0.2 1,-0.1 -15,-0.2 -0.203 84.2-122.0 -65.2 156.6 10.0 -7.6 -20.3 230 220 A G S S+ 0 0 31 -20,-1.4 2,-0.5 -17,-1.1 -16,-0.2 0.909 108.1 23.9 -60.9 -43.1 12.8 -7.9 -22.9 231 221 A I E S-f 214 0A 30 -18,-2.0 -16,-2.5 -21,-0.2 2,-0.5 -0.976 76.7-168.8-127.2 117.4 14.9 -5.8 -20.5 232 222 A G E -f 215 0A 0 -2,-0.5 15,-2.4 -3,-0.2 16,-1.4 -0.929 5.3-169.1-109.0 123.8 14.1 -5.8 -16.8 233 223 A V E -fg 216 248A 0 -18,-3.1 -16,-2.2 -2,-0.5 2,-0.5 -0.930 8.7-155.4-115.5 129.2 15.8 -3.3 -14.5 234 224 A A E -fg 217 249A 0 14,-2.5 16,-2.4 -2,-0.5 -16,-0.2 -0.864 24.5-121.3 -98.4 133.4 15.8 -3.2 -10.7 235 225 A M > - 0 0 0 -18,-2.5 3,-1.8 -2,-0.5 17,-0.2 -0.332 26.7-113.2 -63.8 156.4 16.4 0.1 -9.0 236 226 A G T 3 S+ 0 0 24 15,-2.3 16,-0.3 1,-0.3 -1,-0.1 0.768 118.5 58.0 -65.8 -24.8 19.3 0.1 -6.6 237 227 A N T 3 S+ 0 0 51 14,-0.3 -1,-0.3 -216,-0.2 2,-0.1 0.386 83.0 114.6 -84.9 2.4 16.9 0.5 -3.7 238 228 A A S < S- 0 0 6 -3,-1.8 -19,-0.2 -21,-0.2 -20,-0.1 -0.431 77.1-100.8 -68.0 148.5 15.1 -2.7 -4.7 239 229 A S > - 0 0 66 -21,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.220 35.0-105.5 -61.9 160.2 15.3 -5.6 -2.3 240 230 A E H > S+ 0 0 170 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.833 121.1 55.9 -58.6 -33.3 17.8 -8.4 -3.1 241 231 A K H > S+ 0 0 154 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.915 108.2 46.9 -69.8 -41.6 14.9 -10.6 -4.1 242 232 A V H >4 S+ 0 0 2 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.915 111.8 52.0 -61.2 -43.8 13.7 -8.1 -6.7 243 233 A Q H >< S+ 0 0 59 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.838 96.8 69.5 -60.5 -32.3 17.3 -7.6 -7.9 244 234 A S H 3< S+ 0 0 94 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.717 101.9 42.8 -66.0 -23.2 17.7 -11.4 -8.4 245 235 A V T << S+ 0 0 46 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.456 95.4 104.2 -98.8 -2.8 15.3 -11.5 -11.3 246 236 A A < - 0 0 21 -3,-1.4 -13,-0.2 -4,-0.4 3,-0.1 -0.454 65.8-143.3 -84.1 152.3 16.5 -8.4 -13.1 247 237 A D S S+ 0 0 101 -15,-2.4 2,-0.3 1,-0.3 -14,-0.2 0.750 92.2 11.4 -76.9 -26.0 18.8 -8.2 -16.2 248 238 A F E -g 233 0A 53 -16,-1.4 -14,-2.5 -5,-0.0 2,-0.6 -0.985 63.7-146.3-153.9 139.0 20.4 -5.1 -14.6 249 239 A V E -g 234 0A 57 -2,-0.3 -14,-0.2 -16,-0.2 -13,-0.1 -0.944 27.0-169.5-106.8 115.2 20.5 -3.4 -11.2 250 240 A T - 0 0 5 -16,-2.4 7,-0.1 -2,-0.6 8,-0.1 -0.190 30.9 -76.0 -90.7-173.0 20.8 0.3 -11.6 251 241 A D - 0 0 68 6,-0.3 -15,-2.3 5,-0.2 -14,-0.3 -0.131 63.7 -72.9 -75.6-179.6 21.5 3.0 -9.0 252 242 A T > > - 0 0 50 -16,-0.3 3,-2.1 -17,-0.2 5,-1.9 -0.253 38.4-107.7 -76.4 164.0 18.9 4.2 -6.5 253 243 A V T 3 5S+ 0 0 12 -232,-0.3 3,-0.4 1,-0.3 -221,-0.2 0.703 124.1 51.6 -58.6 -20.3 15.9 6.5 -7.2 254 244 A D T 3 5S+ 0 0 84 1,-0.2 -1,-0.3 -233,-0.1 -2,-0.0 0.398 107.9 52.2 -97.7 2.2 17.9 9.2 -5.3 255 245 A N T < 5S- 0 0 81 -3,-2.1 -1,-0.2 -221,-0.0 -2,-0.1 -0.231 123.1 -88.0-134.0 44.3 21.1 8.7 -7.4 256 246 A S T >5 + 0 0 40 -3,-0.4 4,-2.5 -5,-0.1 5,-0.2 0.785 68.7 157.9 58.8 35.1 19.9 9.0 -11.0 257 247 A G H >< + 0 0 1 -5,-1.9 4,-2.2 1,-0.2 -6,-0.3 0.889 69.7 47.7 -56.5 -45.1 19.1 5.3 -11.3 258 248 A L H > S+ 0 0 1 -236,-0.2 4,-2.5 2,-0.2 5,-0.2 0.958 112.8 47.9 -64.4 -50.5 16.6 5.7 -14.2 259 249 A Y H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.919 112.9 49.5 -53.3 -46.7 18.9 7.9 -16.2 260 250 A K H X S+ 0 0 70 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.854 111.1 49.0 -65.0 -36.0 21.8 5.4 -15.7 261 251 A A H X S+ 0 0 0 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.879 110.2 50.5 -70.4 -40.5 19.8 2.4 -16.7 262 252 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 6,-1.1 0.873 113.2 46.4 -66.8 -36.4 18.5 4.1 -19.9 263 253 A K H ><5S+ 0 0 95 -4,-2.0 3,-1.8 -5,-0.2 -2,-0.2 0.919 106.4 59.4 -67.5 -43.4 22.1 5.0 -20.8 264 254 A H H 3<5S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.5 39.1 -56.4 -38.2 23.4 1.5 -20.0 265 255 A F T 3<5S- 0 0 62 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.295 115.0-112.4 -97.6 9.6 21.1 -0.1 -22.6 266 256 A G T < 5S+ 0 0 63 -3,-1.8 -3,-0.2 2,-0.2 -2,-0.1 0.792 77.5 129.9 65.7 30.5 21.5 2.6 -25.2 267 257 A V < 0 0 23 -5,-2.6 -4,-0.2 -6,-0.2 -5,-0.1 0.868 360.0 360.0 -79.5 -39.6 17.9 3.9 -24.9 268 258 A I 0 0 45 -6,-1.1 -2,-0.2 -9,-0.2 -1,-0.1 -0.844 360.0 360.0-132.2 360.0 19.1 7.5 -24.5